Geometry & MOs

Info

ID:	329236
PubChem CID:	126732856
Reduced:	FNCl2O3C31H32 (1)
Stoich.:	ABC2D3E31F32 (1)
Weight, g/mol:	321.074341
ΔH_f, kcal/mol:	-101.68
Dipole, Da:	5.48
IP(EA), eV:	-9.41(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-[3-chloro-5-(trifluoromethoxy)phenoxy]-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CN(C3)C(C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl)F

DOS

IR

Vibrations